⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL57218 | 1.00 | — | — | |
| SCHEMBL57219 | 1.00 | — | — | |
| SCHEMBL7615589 | 1.00 | — | — | |
| SCHEMBL14401317 | 1.00 | — | — | |
| SCHEMBL28371328 | 0.81 | CNR2 (0.32) | — | |
| SCHEMBL8936245 | 0.81 | FFAR1 (0.33) | — | |
| SCHEMBL2004440 | 0.78 | — | — | |
| SCHEMBL2004439 | 0.78 | — | — | |
| SCHEMBL8551029 | 0.78 | PPARG (0.30) | — | |
| SCHEMBL109866 | 0.77 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101027278-A | Preparation of beta-amino acids having affinity for the alpha-2-delta protein | WARNER LAMBERT CO (US) | 2007-08-29 | — | — | CN | disclosed |